NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 F 5.8213 7.7474 118.7914 58.5423 40.9465 173.2480 17 G 3.7754 8.5757 110.6804 44.4529 0.0000 172.5871 18 S 4.5961 8.0972 113.8209 57.4016 65.3794 173.8414 19 L 3.7352 8.3603 123.4183 57.8286 41.9203 177.3681 20 Y 4.6408 7.6963 114.4837 57.4332 38.1366 175.6096 21 S 4.4509 7.5862 115.1730 57.5116 64.1795 174.1122 22 D 4.4614 8.5230 121.6927 54.2092 42.1500 177.2327 23 E 4.4849 8.7757 126.7995 58.7878 29.4137 179.5094 24 R 3.9408 8.6258 119.0371 59.3748 30.2425 178.3843 25 D 4.7674 8.0043 116.6975 55.7750 41.3284 176.6062 26 K 4.4745 8.4896 121.3326 53.7373 33.2077 174.9076 27 P 4.4283 0.0000 0.0000 63.8729 32.2049 176.7608 28 L 4.7149 7.7329 119.6906 52.7118 43.7676 175.8232 29 L 4.5865 8.1548 123.3959 53.7318 42.8113 176.8815 30 S 3.5423 8.2437 115.9626 57.1401 64.0177 173.7725 31 P 4.2104 0.0000 0.0000 65.5699 30.8971 179.2167 32 T 3.8693 7.7380 108.3166 64.6712 68.9103 176.5689 33 A 3.9253 7.6463 123.8077 54.6712 18.2450 179.3912 34 Q 3.8641 8.3914 118.5645 59.3016 29.1507 178.6036 35 K 3.9059 7.8581 119.1118 59.4097 32.0661 179.2735 36 K 3.7453 8.0359 119.9212 59.1341 31.9864 178.6830 37 F 4.2155 8.3982 121.1959 61.4759 39.2724 177.0336 38 E 4.1156 8.5328 119.7594 58.6373 29.1408 178.9706 39 E 3.8376 7.9219 119.4814 59.4740 29.7136 178.4353 40 Y 4.3908 7.4857 116.7070 61.3339 37.9748 178.6942 41 Q 3.9346 8.1189 119.0477 58.9683 28.7792 178.5173 42 N 4.4197 8.4751 118.3624 56.5299 38.9116 177.0995 43 K 4.0434 8.2933 120.0403 59.4401 32.0605 179.3399 44 L 4.0750 8.1252 119.0052 57.8608 41.5322 179.4958 45 A 4.0053 8.2803 120.8540 55.0396 18.2147 179.4316 46 N 4.2024 8.6574 115.5256 56.2418 38.6421 177.1818 47 L 3.8597 8.1200 121.8773 58.3614 42.1471 178.9895 48 S 3.2180 8.2015 113.1073 60.7928 62.1637 175.8197 49 K 3.6576 7.9845 122.3746 59.6859 31.7064 178.7733 50 I 3.5790 7.4927 118.4968 64.3204 36.9968 178.2494 51 I 4.0320 7.3435 121.8577 63.8128 36.3513 178.7811 52 R 3.8774 7.6470 118.9154 59.2905 29.7208 178.9739 53 E 4.0869 8.1286 116.5058 58.0350 29.6003 177.4682 54 N 4.9499 7.2861 114.6554 52.8531 39.6701 176.3230 55 E 4.2513 7.3585 120.5897 58.8809 29.5835 179.7504 56 G 3.7382 8.0897 106.2752 47.8518 0.0000 173.5354 57 N 4.9351 8.4218 115.2878 52.6361 39.5277 173.5725 58 E 4.6542 7.8134 119.1596 54.2995 31.7194 177.2762 59 V 3.6451 8.5790 123.8061 65.7482 32.1291 176.7073 60 S 4.6954 7.5653 115.9597 54.8765 63.8540 172.2532 61 P 4.2265 0.0000 0.0000 65.2478 31.3657 177.8601 62 W 4.5306 8.0959 117.2765 60.0300 28.9615 178.4514 63 Q 4.3230 8.2924 117.6373 58.8318 28.2390 178.1034 64 E 3.9770 8.3999 120.6444 58.9182 29.6103 178.7177 65 W 4.3399 8.4837 128.5149 60.6021 30.8120 177.8647 66 E 3.8923 8.5993 118.6474 59.2073 28.7683 178.5223 67 N 4.3623 8.6047 117.6363 57.0014 38.8972 177.1237 68 G 3.7042 8.2899 107.0458 47.6051 0.0000 175.5405 69 L 4.0831 8.4780 122.8203 58.8729 40.2782 179.7069 70 R 4.1897 8.0446 118.8761 59.0160 30.0683 179.1265 71 Q 4.0923 7.9904 117.8124 58.8386 28.5457 178.5557 72 I 3.8016 8.0119 120.3002 64.6703 37.2796 177.5240 73 Y 4.2721 8.3858 119.4788 60.3919 38.9084 177.6028 74 K 4.0794 8.4914 120.8595 59.4505 32.2555 179.3920 75 E 4.1655 7.9560 116.9550 56.9099 29.7687 178.5166 *77 I 3.8049 7.6994 118.2337 61.0503 39.3301 177.6019 78 Y 4.2221 7.9726 117.6924 61.3761 37.5128 178.7043 79 D 4.5074 8.6367 119.7229 57.1558 40.8905 178.7632 80 A 3.8866 7.8285 122.1878 54.5499 18.4851 179.2843 81 F 3.6911 8.0813 116.3582 60.7117 39.0802 177.4915 82 D 4.3146 8.2358 117.0061 57.5076 40.9172 178.2392 83 A 4.1067 8.2346 120.1642 54.6775 18.4986 178.6750 84 L 4.2826 7.8755 115.0266 54.0379 42.1076 177.0281 85 G 3.8657 7.7756 106.7792 46.5945 0.0000 173.6069 86 V 4.4308 7.4990 118.8064 60.4100 34.0633 176.0643 87 E 4.3630 8.4793 133.0141 55.5652 28.3429 173.9267 *89 P 4.2132 0.0000 0.0000 61.6882 32.5911 177.6475 90 K 4.0415 8.7021 121.2704 59.0366 32.6686 176.7031 91 D 4.5088 7.0954 116.7979 51.5622 38.5406 175.2075 *93 E 4.0631 8.0458 125.3088 56.5681 31.7927 174.6726 94 V 4.6411 7.7236 120.3497 61.5108 35.2798 173.6823 95 H 4.9899 8.2525 124.0320 53.7474 32.5997 172.2892 96 F 4.7799 9.2962 125.8843 56.9357 40.5980 174.2319 97 A 4.8761 9.4754 129.5009 51.9715 20.7045 177.1038 98 G 4.1763 9.1362 107.5053 45.3213 0.0000 172.7373 99 S 4.6724 8.2024 114.1623 56.3178 63.8787 174.9222 100 L 3.7164 9.0496 129.7312 58.1014 41.6116 178.8087 101 A 2.0000 7.2738 119.1268 53.7017 18.0207 178.5195 102 K 4.1349 7.1477 114.3602 56.0038 32.5277 178.1462 103 A 3.7402 7.5681 123.3137 55.3778 18.2171 180.0916 104 Q 3.4182 7.6036 115.6777 58.7690 28.6256 178.6068 105 A 4.0262 7.8202 121.4703 54.2685 18.8209 177.8701 106 T 4.4149 7.4124 105.0057 60.4974 68.9984 174.1742 107 E 3.8184 8.6002 118.8397 58.1225 27.9030 175.2932 108 Y 3.5951 7.8985 113.7568 58.3201 36.2989 171.6564 109 S 4.3045 8.0531 114.8992 60.2878 63.2852 174.8089 110 D 4.6162 7.8038 119.4760 55.1957 41.5534 176.6626 111 L 4.5563 7.2736 119.0941 54.8128 42.4527 176.6312 112 D 4.5924 9.1540 123.0717 53.1261 44.4675 174.1793 113 A 4.1031 8.2883 130.1520 50.7500 17.7978 176.0149 114 F 4.6342 8.6145 116.6079 56.2276 40.5810 175.0799 115 V 4.6342 8.5312 120.2554 61.1584 33.8221 174.1689 116 I 5.1124 8.6715 128.9353 59.6730 39.3325 175.4606 117 V 4.4680 8.5525 119.6166 59.2813 34.7874 177.0646 118 K 3.9551 8.8393 124.1465 58.9467 32.6184 177.0241 119 N 5.1645 8.0672 114.7905 50.5742 42.3601 175.2012 120 D 4.4060 8.7045 120.8468 57.5003 40.5914 178.6638 121 E 3.9931 8.3019 119.3716 59.4431 29.5717 178.4774 122 D 4.5307 8.1207 118.7453 56.9324 40.7833 178.6540 123 I 3.7560 7.8283 120.8796 64.1681 36.8495 178.1023 124 K 3.8590 7.3063 118.8060 59.6313 32.0560 178.9152 125 K 4.1821 7.9645 116.4615 59.1769 33.1653 178.6661 126 V 3.9656 7.7298 118.9704 65.2427 31.6830 177.6748 127 K 3.9777 8.6059 119.8143 59.3756 31.9501 176.9915 128 P 4.2631 0.0000 0.0000 65.2400 31.1413 178.7910 129 V 3.0848 7.3301 117.0474 65.9398 31.2486 178.2256 130 F 3.9002 7.9064 116.8404 60.1780 38.8348 177.1256 131 D 4.3177 8.2934 117.9007 56.9911 41.0196 177.9014 132 A 4.0274 8.0880 121.5405 55.3667 18.3819 179.4954 133 L 4.0849 7.9234 117.3575 58.2177 41.6723 179.5460 134 N 4.4945 8.5485 116.4646 56.3509 38.4677 177.1705 135 N 4.5486 8.1316 117.7084 56.2894 38.6099 177.1046 136 L 4.0567 8.0724 121.6428 58.5163 42.1940 178.7024 137 C 4.2073 8.7331 116.9663 63.0745 27.9953 176.2014 138 Q 4.0940 8.3676 119.5794 58.9630 28.3276 178.8351 139 R 4.3097 8.1596 121.0337 59.0363 30.2500 178.4870 140 I 3.8936 8.4253 120.0308 64.4303 36.8854 178.1581 141 F 4.3507 8.1796 121.5492 61.1313 39.3436 176.7441 142 T 3.8765 8.0129 113.8552 66.8254 68.4440 176.0916 143 A 4.2524 8.0499 120.3088 53.1683 18.7098 177.9385 144 S 4.2390 6.9071 111.4173 57.6051 64.2096 174.1535 145 N 4.5615 8.5007 120.0422 53.0591 37.6502 175.5192 146 Q 4.2576 8.3934 124.8367 57.3749 29.3027 177.6194 147 I 3.6434 7.5637 118.8608 63.6634 37.2674 175.7110 148 Y 5.0686 7.3613 115.6826 55.1025 40.1696 173.8704 149 P 4.4834 0.0000 0.0000 62.8219 32.1269 175.8730 150 D 4.7200 9.4903 123.8553 52.6218 40.5731 175.1459 151 P 4.1392 0.0000 0.0000 64.7362 31.3992 177.0957 152 I 3.9980 8.0327 111.2304 60.0944 38.2244 177.0318 153 G 3.6396 7.8830 110.8107 45.2525 0.0000 172.6030 154 I 3.6944 7.8619 118.0057 62.6512 37.7963 176.9769 155 N 4.9614 7.3625 118.3922 50.5112 37.2261 171.9289 156 P 4.1698 0.0000 0.0000 65.2363 32.2711 176.7642 157 S 4.8480 8.1045 113.6570 56.8674 61.9184 172.6090 158 R 4.4365 8.9127 125.7944 57.2457 32.0020 176.5429 159 L 4.8419 7.5415 116.9485 52.9851 44.5355 175.4926 160 I 4.9568 7.8992 121.5327 59.5320 41.1974 174.1695 161 G 4.1237 8.4211 115.2613 46.1439 0.0000 172.5882 162 T 5.3112 8.0597 109.6605 60.0528 69.6943 173.7499 163 P 4.2772 0.0000 0.0000 66.0913 31.1203 178.6571 164 D 4.4868 8.1026 116.9103 57.4078 40.5836 178.3132 165 D 4.3730 8.0939 118.3073 57.5177 40.9759 178.6780 166 L 4.0909 8.0274 118.2018 57.6926 41.9492 178.9816 167 F 4.5816 8.7608 121.2087 61.1161 39.3354 178.2151 168 G 3.6063 8.2721 104.5044 44.9981 0.0000 175.2252 *170 L 4.2051 7.9016 121.8379 54.3081 43.5069 179.4344 171 K 3.8448 7.6223 117.7066 58.5986 32.1187 176.9885 172 D 4.4622 7.9466 116.8746 52.9357 40.7933 174.3619 173 G 3.5548 7.5097 113.2275 45.3108 0.0000 173.6816 *175 V 3.7158 7.9000 123.8030 61.6400 31.9331 174.5154 176 A 3.8837 8.0394 124.8839 53.9960 18.6540 177.8751 177 D 4.6977 7.3852 120.1518 51.3524 41.4209 177.1938 178 V 3.4525 8.0793 123.7921 66.1192 31.4982 177.1301 179 E 3.7650 8.0957 116.4097 59.0287 29.4812 178.7458 180 A 4.0775 7.9311 120.0325 55.5197 18.6863 179.5605 181 T 3.9078 8.0513 114.1273 66.5001 68.3866 176.9503 182 A 3.8878 7.9201 120.3455 53.3277 18.1191 179.0612 *184 S 4.3237 8.0333 116.6436 59.6389 65.3936 176.3760 185 I 3.6671 8.0178 122.1230 64.3275 36.5545 178.2007 186 L 4.0942 7.9528 118.9571 57.3951 41.4732 178.7566 187 T 4.5003 7.0632 106.5814 60.5510 69.3851 175.0991 188 S 4.5669 7.4969 116.3322 58.7398 63.9568 173.4220 189 K 4.9037 8.4565 121.2315 53.9154 34.8971 173.8503 190 P 4.4310 0.0000 0.0000 63.0873 31.6372 175.9720 191 V 4.1405 8.6263 123.5857 64.1321 32.5869 176.0198 192 L 4.7310 7.5108 118.0682 52.2594 44.0476 174.0996 193 P 4.5621 0.0000 0.0000 62.8134 31.2177 176.7063 194 R 4.5762 6.8580 115.3009 55.7273 34.3433 175.3257 195 Y 4.6634 8.3096 116.2106 57.8368 41.1708 177.2951 196 E 4.0147 8.5016 119.9310 59.4620 29.5697 178.7894 197 L 4.1628 9.0715 119.4067 57.5380 41.5967 179.6192 198 G 3.5815 8.8284 106.0954 47.7123 0.0000 175.4205 199 E 3.9625 8.3795 121.7189 59.0063 29.8271 178.5509 200 E 3.9193 8.3081 118.7176 59.4959 29.5741 179.2492 201 L 3.9565 8.1585 120.2842 58.2958 42.2126 179.2638 202 R 3.9971 8.3451 118.3092 59.2230 29.9497 178.8510 203 D 4.3583 8.3353 119.0693 57.0965 40.6851 178.8204 204 K 3.5904 7.7301 118.6234 59.4152 31.7021 179.3872 205 I 4.1847 7.4086 118.7474 64.5937 37.1104 178.4148 206 K 4.2348 7.9813 118.2818 58.7752 32.0205 178.4952 207 Q 4.5330 7.8136 115.6219 54.6535 29.4099 175.2757 208 E 4.1399 7.7529 123.2830 55.0837 30.1626 175.2787 209 P 4.2698 0.0000 0.0000 65.7413 31.5185 178.6090 210 S 4.2059 7.7905 110.4247 60.1236 62.8670 174.6338 211 F 5.4141 7.5699 119.5201 57.6593 39.1020 177.1711 212 S 4.3297 8.3377 119.9359 61.8479 62.5629 175.5791 213 N 3.9576 8.1808 117.4389 53.7588 37.6588 174.6370 *215 V 3.8552 7.8651 123.6962 64.0829 31.7348 174.7899 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 16 F 7.75 5.82 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.58 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.10 4.60 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.36 3.74 0.00 1.38 1.16 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.70 4.64 0.00 3.17 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.59 4.45 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.52 4.46 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.78 4.48 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 24 R 8.63 3.94 0.00 1.80 2.04 0.00 3.36 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 25 D 8.00 4.77 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.49 4.47 0.00 1.68 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.50 7.81 27 P 0.00 4.43 0.00 2.16 2.17 0.00 3.47 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 28 L 7.73 4.71 0.00 1.99 1.80 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.15 4.59 0.00 1.59 1.43 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.24 3.54 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.21 0.00 2.07 2.01 0.00 3.34 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 32 T 7.74 3.87 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 33 A 7.65 3.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.39 3.86 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 35 K 7.86 3.91 0.00 1.97 1.80 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 36 K 8.04 3.75 0.00 1.77 1.84 0.00 0.86 0.00 0.00 1.34 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.10 7.81 37 F 8.40 4.22 0.00 3.16 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.53 4.12 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 39 E 7.92 3.84 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 40 Y 7.49 4.39 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.12 3.93 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.72 0.00 42 N 8.48 4.42 0.00 2.79 2.95 0.00 0.00 7.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.29 4.04 0.00 2.09 1.93 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.77 7.81 44 L 8.13 4.07 0.00 1.91 1.83 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.28 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.66 4.20 0.00 2.94 2.86 0.00 0.00 6.62 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.12 3.86 0.00 1.88 2.00 0.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.20 3.22 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.98 3.66 0.00 1.74 1.95 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 50 I 7.49 3.58 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.83 0.00 0.00 51 I 7.34 4.03 1.09 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.93 0.51 0.00 0.00 52 R 7.65 3.88 0.00 1.73 1.75 0.00 2.52 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 53 E 8.13 4.09 0.00 1.88 1.93 0.00 0.00 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0.00 131 D 8.29 4.32 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.09 4.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.92 4.08 0.00 1.88 1.83 0.43 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.55 4.49 0.00 2.95 2.91 0.00 0.00 7.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.13 4.55 0.00 3.13 3.10 0.00 0.00 6.64 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.07 4.06 0.00 1.87 2.03 1.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 C 8.73 4.21 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.37 4.09 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 139 R 8.16 4.31 0.00 1.92 2.22 0.00 2.50 0.00 0.00 2.58 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 140 I 8.43 3.89 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.95 0.00 0.00 141 F 8.18 4.35 0.00 2.95 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.01 3.88 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 A 8.05 4.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 6.91 4.24 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.50 4.56 0.00 2.84 2.96 0.00 0.00 6.92 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.39 4.26 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.77 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 147 I 7.56 3.64 1.48 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.35 0.13 0.00 0.00 148 Y 7.36 5.07 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.48 0.00 1.87 2.05 0.00 4.27 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 150 D 9.49 4.72 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.14 0.00 1.98 1.40 0.00 3.88 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 152 I 8.03 4.00 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.98 0.00 0.00 153 G 7.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.86 3.69 1.51 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 155 N 7.36 4.96 0.00 2.74 2.76 0.00 0.00 6.04 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.17 0.00 1.84 2.47 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 157 S 8.10 4.85 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.91 4.44 0.00 2.14 1.89 0.00 3.16 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 159 L 7.54 4.84 0.00 1.54 1.50 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.90 4.96 1.77 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.90 0.00 0.00 161 G 8.42 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.06 5.31 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 163 P 0.00 4.28 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 164 D 8.10 4.49 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.09 4.37 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.03 4.09 0.00 1.60 1.63 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 167 F 8.76 4.58 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.27 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 L 7.90 4.21 0.00 1.81 1.81 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.62 3.84 0.00 0.84 1.37 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.04 7.81 172 D 7.95 4.46 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *175 V 7.90 3.72 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.86 0.00 0.00 176 A 8.04 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 7.39 4.70 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 8.08 3.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 179 E 8.10 3.76 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 180 A 7.93 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.05 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 182 A 7.92 3.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *184 S 8.03 4.32 0.00 4.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 I 8.02 3.67 1.89 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.73 0.83 0.00 0.00 186 L 7.95 4.09 0.00 1.59 1.75 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.06 4.50 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 188 S 7.50 4.57 0.00 4.24 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.46 4.90 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.54 7.81 190 P 0.00 4.43 0.00 1.99 2.10 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 191 V 8.63 4.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.15 0.00 0.00 192 L 7.51 4.73 0.00 1.47 1.44 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 193 P 0.00 4.56 0.00 2.25 2.20 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 194 R 6.86 4.58 0.00 1.53 1.70 0.00 3.09 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 195 Y 8.31 4.66 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 E 8.50 4.01 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 197 L 9.07 4.16 0.00 1.98 1.73 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 198 G 8.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.38 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 200 E 8.31 3.92 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 201 L 8.16 3.96 0.00 1.78 1.93 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.35 4.00 0.00 2.02 1.98 0.00 3.23 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 203 D 8.34 4.36 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.73 3.59 0.00 1.43 0.74 0.00 1.48 0.00 0.00 1.25 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.06 1.42 7.81 205 I 7.41 4.18 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.79 0.90 0.00 0.00 206 K 7.98 4.23 0.00 1.97 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 207 Q 7.81 4.53 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 208 E 7.75 4.14 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 209 P 0.00 4.27 0.00 2.16 2.07 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 210 S 7.79 4.21 0.00 3.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 F 7.57 5.41 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 S 8.34 4.33 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 N 8.18 3.96 0.00 2.85 3.00 0.00 0.00 5.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *215 V 7.87 3.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.